General Information of the Compound
| Compound ID |
CP0419658
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| Compound Name |
US9409915, 105
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| Structure |
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| Formula |
C20H18ClN3OS
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| Molecular Weight |
383.904
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| Canonical SMILES |
COc1nc(cc2nc([nH]c12)-c1cc(cs1)C(C)C)-c1ccccc1Cl
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| InChI |
InChI=1S/C20H18ClN3OS/c1-11(2)12-8-17(26-10-12)19-22-16-9-15(13-6-4-5-7-14(13)21)23-20(25-3)18(16)24-19/h4-11H,1-3H3,(H,22,24)
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| InChIKey |
QCMLKTDYYJQIML-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound